Information card for entry 7014558

Structure parameters

• Formula: C66 H102 B2 Co2 Fe2 Mn2 N22 O18 P6
• Calculated formula: C66 H102 B2 Co2 Fe2 Mn2 N22 O18 P6
• SMILES: [BH]12n3ccc[n]3[Fe]3(C#[N][Mn]45([N]#C[Fe]67(C#[N][Mn]89([N]#C3)(O[P](OCC)(OCC)[Co]3%10%11%12([P](O8)(OCC)OCC)([P](O9)(OCC)OCC)[cH]8[cH]3[cH]%10[cH]%11[cH]%128)[N]#CC)(C#N)[n]3cccn3[BH](n3ccc[n]63)n3[n]7ccc3)(O[P](OCC)(OCC)[Co]3678([P](O4)(OCC)OCC)([P](O5)(OCC)OCC)[cH]4[cH]3[cH]6[cH]7[cH]84)[N]#CC)(C#N)([n]3cccn13)[n]1n2ccc1.CC#N.CC#N
• Title of publication: Hexanuclear Fe(III)(2)Co(III)(2)M(II)(2) (M = Cu, Ni, Mn) clusters based on Kläui's tripodal ligand and tricyanometalates: syntheses, structures and magnetic properties.
• Authors of publication: Kang, Ling-Chen; Yao, Min-Xia; Chen, Xin; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2204 - 2212
• a: 17.463 ± 0.01 Å
• b: 11.906 ± 0.007 Å
• c: 23.852 ± 0.014 Å
• α: 90°
• β: 107.849 ± 0.013°
• γ: 90°
• Cell volume: 4720 ± 5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.18
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No